2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide

C13H22F3N3O2 — CID 102611867

IUPAC2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCC1(OCC(=O)NCC2CCN(CC(F)(F)F)C2)CNC1
InChIInChI=1S/C13H22F3N3O2/c1-12(7-17-8-12)21-6-11(20)18-4-10-2-3-19(5-10)9-13(14,15)16/h10,17H,2-9H2,1H3,(H,18,20)
InChIKeyYLDQAHVEOHWEIL-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.37
Rot. Bonds6

About 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide

2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 102611867) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID102611867
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCC1(OCC(=O)NCC2CCN(CC(F)(F)F)C2)CNC1
InChIInChI=1S/C13H22F3N3O2/c1-12(7-17-8-12)21-6-11(20)18-4-10-2-3-19(5-10)9-13(14,15)16/h10,17H,2-9H2,1H3,(H,18,20)
InChIKeyYLDQAHVEOHWEIL-UHFFFAOYSA-N
XLogP0.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide (CID 102611867) is 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide is CC1(OCC(=O)NCC2CCN(CC(F)(F)F)C2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is YLDQAHVEOHWEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-12(7-17-8-12)21-6-11(20)18-4-10-2-3-19(5-10)9-13(14,15)16/h10,17H,2-9H2,1H3,(H,18,20).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 309.33 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 102611867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).